4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide

C18H16BrF3N2O4S — CID 24637915

IUPAC4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H16BrF3N2O4S/c19-15-6-1-12(11-16(15)29(26,27)24-7-9-28-10-8-24)17(25)23-14-4-2-13(3-5-14)18(20,21)22/h1-6,11H,7-10H2,(H,23,25)
InChIKeyWUNGSQZSOQMIOP-UHFFFAOYSA-N
MW493.30 g/mol
LogP3.74
Rot. Bonds4

About 4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide

4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 24637915) has the molecular formula C18H16BrF3N2O4S and a molecular weight of 493.30 g/mol. Its IUPAC name is 4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID24637915
Molecular FormulaC18H16BrF3N2O4S
Molecular Weight493.30 g/mol
Exact Mass492.00
IUPAC Name4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H16BrF3N2O4S/c19-15-6-1-12(11-16(15)29(26,27)24-7-9-28-10-8-24)17(25)23-14-4-2-13(3-5-14)18(20,21)22/h1-6,11H,7-10H2,(H,23,25)
InChIKeyWUNGSQZSOQMIOP-UHFFFAOYSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 39954292
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26639223
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
4-bromo-N-(4-fluoro-3-nitrophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26696937
2-[(4-bromo-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 1378927
4-[[3-(azepan-1-ylsulfonyl)-4-bromobenzoyl]amino]benzoate
CID 2173877
4-bromo-3-morpholin-4-ylsulfonylbenzoate
CID 3668553
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 34298858
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 81295641

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide (CID 24637915) is 4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is WUNGSQZSOQMIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF3N2O4S/c19-15-6-1-12(11-16(15)29(26,27)24-7-9-28-10-8-24)17(25)23-14-4-2-13(3-5-14)18(20,21)22/h1-6,11H,7-10H2,(H,23,25).
What are the key properties of 4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 493.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 24637915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).